LAMMPS (27 Nov 2018)
  using 1 OpenMP thread(s) per MPI task
# 3d Lennard-Jones melt

units		lj
atom_style	atomic
processors      * 1 1

lattice		fcc 0.8442
Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
region		box block 0 10 0 10 0 10
create_box	3 box
Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
  4 by 1 by 1 MPI processor grid
create_atoms	1 box
Created 4000 atoms
  Time spent = 0.000440836 secs
mass		* 1.0

region		long block 3 6 0 10 0 10
set             region long type 2
  1400 settings made for type

velocity	all create 1.0 87287

pair_style	lj/cut 2.5
pair_coeff	* * 1.0 1.0 2.5
pair_coeff      * 2 1.0 1.0 5.0

comm_style	tiled

neighbor	0.3 bin
neigh_modify	every 2 delay 4 check yes
fix		p all property/atom d_WEIGHT
fix		0 all balance 50 1.0 rcb weight neigh 0.8 weight store WEIGHT
compute		p all property/atom d_WEIGHT
variable	maximb equal f_0[1]
variable	iter   equal f_0[2]
variable 	prev   equal f_0[3]
variable	final  equal f_0

#fix		3 all print 50 "${iter} ${prev} ${final} ${maximb}"

fix		1 all nve

#dump		id all atom 50 dump.melt
#dump		id all custom 50 dump.lammpstrj id type x y z c_p

#dump		2 all image 25 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30
#dump_modify	2 pad 3

#dump		3 all movie 25 movie.mpg type type #		axes yes 0.8 0.02 view 60 -30
#dump_modify	3 pad 3

thermo		50

run		250
Neighbor list info ...
  update every 2 steps, delay 4 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.3
  ghost atom cutoff = 5.3
  binsize = 2.65, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair lj/cut, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d/newton
      bin: standard
WARNING: Balance weight neigh skipped b/c no list found (src/imbalance_neigh.cpp:65)
Per MPI rank memory allocation (min/avg/max) = 3.917 | 3.927 | 3.945 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
       0            1   -6.9453205            0   -5.4456955   -5.6812358    4738.2137 
      50   0.48653399   -6.1788509            0   -5.4492324   -1.6017778    4738.2137 
     100   0.53411175    -6.249885            0   -5.4489177   -1.9317606    4738.2137 
     150   0.53646658   -6.2527206            0   -5.4482219   -1.9689568    4738.2137 
     200   0.54551611   -6.2656326            0   -5.4475631   -2.0042104    4738.2137 
     250   0.54677719   -6.2671162            0   -5.4471555   -2.0015995    4738.2137 
Loop time of 1.0693 on 4 procs for 250 steps with 4000 atoms

Performance: 101000.295 tau/day, 233.797 timesteps/s
89.5% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.58255    | 0.65493    | 0.72281    |   8.3 | 61.25
Neigh   | 0.214      | 0.22344    | 0.23158    |   1.4 | 20.90
Comm    | 0.10451    | 0.17801    | 0.25967    |  17.3 | 16.65
Output  | 0.00015521 | 0.00020903 | 0.00034142 |   0.0 |  0.02
Modify  | 0.007113   | 0.0073407  | 0.0076027  |   0.2 |  0.69
Other   |            | 0.005369   |            |       |  0.50

Nlocal:    1000 ave 1005 max 996 min
Histogram: 2 0 0 0 0 0 0 1 0 1
Nghost:    7674 ave 7679 max 7670 min
Histogram: 1 1 0 0 0 0 1 0 0 1
Neighs:    149349 ave 149991 max 147960 min
Histogram: 1 0 0 0 0 0 0 1 0 2

Total # of neighbors = 597396
Ave neighs/atom = 149.349
Neighbor list builds = 25
Dangerous builds = 0
run             250
Per MPI rank memory allocation (min/avg/max) = 3.922 | 4.004 | 4.078 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
     250   0.54677719   -6.2671162            0   -5.4471555   -2.0015995    4738.2137 
     300    0.5477618   -6.2678071            0   -5.4463698    -1.997842    4738.2137 
     350   0.55600296   -6.2801497            0   -5.4463538   -2.0394056    4738.2137 
     400   0.53241503   -6.2453665            0   -5.4469436    -1.878594    4738.2137 
     450    0.5439158      -6.2623            0   -5.4466302   -1.9744161    4738.2137 
     500   0.55526241   -6.2793396            0   -5.4466542   -2.0595015    4738.2137 
Loop time of 0.999028 on 4 procs for 250 steps with 4000 atoms

Performance: 108105.088 tau/day, 250.243 timesteps/s
93.7% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.60256    | 0.6507     | 0.68091    |   3.8 | 65.13
Neigh   | 0.21602    | 0.21945    | 0.22516    |   0.8 | 21.97
Comm    | 0.087366   | 0.11787    | 0.16957    |   9.6 | 11.80
Output  | 0.00016737 | 0.00028127 | 0.00057006 |   0.0 |  0.03
Modify  | 0.0065138  | 0.0066211  | 0.0067828  |   0.1 |  0.66
Other   |            | 0.004103   |            |       |  0.41

Nlocal:    1000 ave 1005 max 994 min
Histogram: 1 0 0 1 0 0 0 0 1 1
Nghost:    7675.75 ave 7703 max 7648 min
Histogram: 1 1 0 0 0 0 0 0 1 1
Neighs:    149308 ave 173909 max 124842 min
Histogram: 2 0 0 0 0 0 0 0 0 2

Total # of neighbors = 597231
Ave neighs/atom = 149.308
Neighbor list builds = 25
Dangerous builds = 0

Total wall time: 0:00:02
